K4TlAu
Alexandria ALEXAlex-ID: agm002155481 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_166_spg12
K10Tl7 K5Au3 K
2018-06-13 09:38:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002155481).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm002155481
data_agm002155481
_cell_length_a 7.47254
_cell_length_b 6.70270
_cell_length_c 12.57275
_cell_angle_alpha 90.02019
_cell_angle_beta 90.03622
_cell_angle_gamma 56.12190
_cell_volume 522.81021
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl1 Tl 0.07364 0.00000 0.88853 1.00000
Tl2 Tl 0.92636 0.00000 0.11147 1.00000
Au1 Au 0.74593 0.50813 0.50000 1.00000
Au2 Au 0.25407 0.49187 0.50000 1.00000
K1 K 0.24466 0.00000 0.58598 1.00000
K2 K 0.67337 0.65326 0.00000 1.00000
K3 K 0.57441 0.36407 0.71690 1.00000
K4 K 0.42559 0.63593 0.28310 1.00000
K5 K 0.06152 0.36407 0.28310 1.00000
K6 K 0.93848 0.63593 0.71690 1.00000
K7 K 0.75534 0.00000 0.41402 1.00000
K8 K 0.32663 0.34674 0.00000 1.00000
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